2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide

C14H29NOS — CID 89161980

IUPAC2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide
SMILESCC(C)CC(C(=O)NC(C)(C)CS)C(C)(C)C
InChIInChI=1S/C14H29NOS/c1-10(2)8-11(13(3,4)5)12(16)15-14(6,7)9-17/h10-11,17H,8-9H2,1-7H3,(H,15,16)
InChIKeyWPRWWXBQUGVYHZ-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.52
Rot. Bonds5

About 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide

2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide (PubChem CID 89161980) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide
PubChem CID89161980
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide
SMILESCC(C)CC(C(=O)NC(C)(C)CS)C(C)(C)C
InChIInChI=1S/C14H29NOS/c1-10(2)8-11(13(3,4)5)12(16)15-14(6,7)9-17/h10-11,17H,8-9H2,1-7H3,(H,15,16)
InChIKeyWPRWWXBQUGVYHZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide (CID 89161980) is 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide is CC(C)CC(C(=O)NC(C)(C)CS)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide?
The InChIKey is WPRWWXBQUGVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-10(2)8-11(13(3,4)5)12(16)15-14(6,7)9-17/h10-11,17H,8-9H2,1-7H3,(H,15,16).
What are the key properties of 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide?
2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide has a molecular weight of 259.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide is sourced from PubChem (CID 89161980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).